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	hartrees
Energy at 0K	-202.228429
Energy at 298.15K	-202.229353
HF Energy	-202.228429
Nuclear repulsion energy	60.220244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1292	1143	0.59	13.54	0.20	0.34
2	A₁	631	558	1.99	0.88	0.64	0.78
3	B₂	1541	1364	7.75	6.47	0.75	0.86

Atom	y (Å)	z (Å)
N1	0.000	0.390
O2	1.169	-0.171
O3	-1.169	-0.171

	N1	O2	O3
N1		1.2960	1.2960
O2	1.2960		2.3373
O3	1.2960	2.3373

Number	Element	Mulliken
1	N	0.081
2	O	-0.040
3	O	-0.040

All results from a given calculation for NO₂ (Nitrogen dioxide)

using model chemistry: B3PW91/STO-3G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	32.218
(<r²>)^1/2	5.676

All results from a given calculation for NO2 (Nitrogen dioxide)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for NO₂ (Nitrogen dioxide)